N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide

C10H12BrN2OS- — CID 21179407

IUPACN-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide
SMILESCOc1ccc(NC2=NCCS2)cc1.[Br-]
InChIInChI=1S/C10H12N2OS.BrH/c1-13-9-4-2-8(3-5-9)12-10-11-6-7-14-10;/h2-5H,6-7H2,1H3,(H,11,12);1H/p-1
InChIKeySKFAPAVESWMNKH-UHFFFAOYSA-M
MW288.19 g/mol
LogP-0.79
Rot. Bonds2

About N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide

N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide (PubChem CID 21179407) has the molecular formula C10H12BrN2OS- and a molecular weight of 288.19 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide
PubChem CID21179407
Molecular FormulaC10H12BrN2OS-
Molecular Weight288.19 g/mol
Exact Mass286.99
IUPAC NameN-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide
SMILESCOc1ccc(NC2=NCCS2)cc1.[Br-]
InChIInChI=1S/C10H12N2OS.BrH/c1-13-9-4-2-8(3-5-9)12-10-11-6-7-14-10;/h2-5H,6-7H2,1H3,(H,11,12);1H/p-1
InChIKeySKFAPAVESWMNKH-UHFFFAOYSA-M
XLogP-0.79
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 7303198
N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 66242431
N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345498
N-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 139763051
N-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115360949
N-(4-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967536
N-(3,4-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068216
N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2731411
N-(4-butylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride
CID 24846776
N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 14391638
4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 17338742
N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068023

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide?
The IUPAC name of N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide (CID 21179407) is N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide.
What is the SMILES notation for N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide?
The canonical SMILES for N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide is COc1ccc(NC2=NCCS2)cc1.[Br-].
What is the InChIKey of N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide?
The InChIKey is SKFAPAVESWMNKH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12N2OS.BrH/c1-13-9-4-2-8(3-5-9)12-10-11-6-7-14-10;/h2-5H,6-7H2,1H3,(H,11,12);1H/p-1.
What are the key properties of N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide?
N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide has a molecular weight of 288.19 g/mol, XLogP of -0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide is sourced from PubChem (CID 21179407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).